Lithium Ion

Lithium Ion

SCHEMBL1003296

C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1nc2c(C(=O)[O-])cc(Cl)cc2o1.[Li+]

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.37
STS P08842 4/20 0.35
HTR3A P46098 3/20 0.35
KCNH2 Q12809 1/20 0.35
USP30 Q70CQ3 1/20 0.33
POLR1A O95602 1/20 0.33
SMARCA2 P51531 1/20 0.33
SMARCA4 P51532 1/20 0.33
PBRM1 Q86U86 1/20 0.33
MAPT P10636 1/20 0.32
KAT6A Q92794 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32
RET P07949 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
GABRA5 P31644 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1003297 0.90 KMT2A (0.36) GPR119STSHTR3AKCNH2USP30
SCHEMBL4410093 0.89 STS (0.37) GPR119STSHTR3AKCNH2USP30
SCHEMBL1003564 0.89 STS (0.37) GPR119STSHTR3AKCNH2USP30
Lithium Ion SCHEMBL1003674 0.85 HTR3A (0.47) GPR119HTR3AKCNH2POLR1A
Lithium Ion SCHEMBL1003673 0.85 HTR3A (0.47) GPR119HTR3AKCNH2POLR1A
Lithium Ion SCHEMBL1003498 0.85 HTR3A (0.47) GPR119HTR3AKCNH2POLR1A
Lithium Ion SCHEMBL1005422 0.85 HTR3A (0.47) GPR119HTR3AKCNH2POLR1A
SCHEMBL1007104 0.79 SMARCA2 (0.43) GPR119STSSMARCA2SMARCA4PBRM1
SCHEMBL1007106 0.79 SMARCA2 (0.43) GPR119STSSMARCA2SMARCA4PBRM1
SCHEMBL1006679 0.77 SMARCA2 (0.42) GPR119STSSMARCA2SMARCA4PBRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A GPR119 350/4885STS 785/4885HTR3A 3/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.